Compound Detail
CHEMBL86324
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Basic Information
| ChEMBL ID | CHEMBL86324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLRSONQNLJWHBO-HXUWFJFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
4.54
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 10.24 | 10.24 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.058 | nM | 10.24 | In vitro binding affinity towards Opioid receptor kappa 1 by displacement of bou... | 11086731 |
| Kappa-type opioid receptor | Ki | = | 0.058 | nM | 10.24 | Displacement of bound [3H]diprenorphine from membranes expressing cloned human k... | 15686919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686919 | 10.1016/j.bmcl.2004.12.018 | Mus musculus | 4 |
| 11086731 | 10.1016/s0960-894x(00)00519-9 | Rattus norvegicus | 3 |
| 11086731 | 10.1016/s0960-894x(00)00519-9 | Kappa-type opioid receptor | 1 |
| 11086731 | 10.1016/s0960-894x(00)00519-9 | Opioid receptors; mu & kappa | 1 |
| 11086731 | 10.1016/s0960-894x(00)00519-9 | Opioid receptors; delta & kappa | 1 |
| 11086731 | 10.1016/s0960-894x(00)00519-9 | Unchecked | 1 |
| 15686919 | 10.1016/j.bmcl.2004.12.018 | Kappa-type opioid receptor | 1 |
| 15686919 | 10.1016/j.bmcl.2004.12.018 | Opioid receptors; mu & kappa | 1 |
| 15686919 | 10.1016/j.bmcl.2004.12.018 | Opioid receptors; delta & kappa | 1 |
Data from ChEMBL 36 via Core Engine